Mrv1652307282022152D          

 15 16  0  0  0  0            999 V2000
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  6 15  2  0  0  0  0
 10 15  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0940

> <DATABASE_NAME>
t3db

> <SMILES>
CNC(=O)OC1=C2C=CC=CC2=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)

> <INCHI_KEY>
CVXBEEMKQHEXEN-UHFFFAOYSA-N

> <FORMULA>
C12H11NO2

> <MOLECULAR_WEIGHT>
201.2212

> <EXACT_MASS>
201.078978601

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
21.121722517952495

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
naphthalen-1-yl N-methylcarbamate

> <ALOGPS_LOGP>
2.45

> <JCHEM_LOGP>
2.4601140790000002

> <ALOGPS_LOGS>
-3.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.770016867840848

> <JCHEM_POLAR_SURFACE_AREA>
38.33

> <JCHEM_REFRACTIVITY>
57.214000000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.14e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbaryl

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0940

> <NAME>
Carbaril

> <CAS>
63-25-2

> <SYNONYMS>
1-Naphthalenol methylcarbamate; 1-Naphthalenol, methylcarbamate; 1-Naphthalenyl methylcarbamate; 1-Naphthol N-methylcarbamate; 1-Naphthyl methylcarbamate; 1-Naphthyl N-methylcarbamate; 1-Naphthyl N-methylcarbamateacid O,O-diethyl ester; 18, Concentrat VO; a-naftyl-n-methylkarbamat; a-naphthalenyl methylcarbamate; a-naphthyl methylcarbamate; a-naphthyl n-methylcarbamate; Alpha-naphthalenyl methylcarbamate; Alpha-naphthyl methylcarbamate; Alpha-naphthyl n-methylcarbamate; alpha.Naftyl-n-methylkarbamat; alpha.Naphthalenyl methylcarbamate; alpha.Naphthyl methylcarbamate; alpha.Naphthyl n-methylcarbamate; Antigale; Arilat; Arilate; Arylam; Atoxan; Avicopharma brand of carbaril; Bercema NMC50; Bug master; Caprolin; Carbamic acid, methyl-, naphthalenyl ester; Carbamic acid, N-methyl,1-naphthyl ester; Carbamic-14C acid, methyl-, 1-naphthyl ester; Carbamine; Carbaril avicopharma brand; Carbaril biov brand; Carbaril coophavet brand; Carbaril intraveno brand; Carbaril mavlab brand; Carbaril novartis brand; Carbaril ornis brand; Carbaril sanofi brand; Carbaril sogeval brand; Carbaril virbac brand; Carbaril vtoquinol brand; Carbarilo; Carbarilum; Carbaryl; Carbaryl (sevin); Carbaryl solution; Carbaryl, Manganese (2+) Salt; Carbaryl, Nickel (2+) Salt; Carbatox; Carbatox 75; Carbatox-60; Carbatox-75; Carbavur; Carbomate; Carbyl; Carpolin; Carylderm; Caswell No. 160; Cekubaryl; Clinicide; Compound 7744; Concentrat VO 18; Coophavet brand of carbaril; Crag sevin; Crunch; David veterinary laboratories brand of carbaril; Denapon; Derbac; Devicarb; Dicarbam; Dicarbament 23,969; Dog net insecticide poudre; Dog-net insecticide poudre; Dognet insecticide poudre; Dyna-carbyl; Experimental Insecticide 7744; Fido's free itch; Fido's free-itch; Fido's freeitch; Flea and tick powder; G wizz; Gamonil; Gwizz; Hexavin; Insecticide moureau, poudre; Insecticide vetoquinol, poudre; Intraveno brand of carbaril; Joseph LYDDY; Karbaryl; Karbaspray; Karbatox; Karbatox 75; Karbatox zawiesinowy; Karbosep; Kid pest project (carbaryl) (see also carbaryl); Mavlab brand of carbaril; Menaphtam; Methylcarbamat of e 1-naphthol; Methylcarbamate 1-naphthalenol; Methylcarbamate 1-naphthol; Methylcarbamate, 1-naphthalenol; Methylcarbamic acid, 1-naphthyl ester; Microcarb; Monsur; Moureau, poudre insecticide; Mugan; Murvin; Murvin 85; N-methyl naphthylcarbamate; N-methyl-.alpha.-naphthylcarbamate; N-methyl-.alpha.-naphthylurethan; N-Methyl-1-naphthyl carbamate; N-methyl-a-naphthylcarbamate; N-methyl-a-naphthylurethan; N-methyl-alpha-naphthylcarbamate; N-methyl-alpha-naphthylurethan; NAC; naphthalen-1-yl methylcarbamate; Naphthalenol, methylcarbamate; Naphthyl n-methylcarbamate; Noflo 5 vet; Novartis brand of carbaril; O-(1-Naphthyl)-N-methylcarbamat; Occoxil; Olititox; Oltitox; Ornis brand of carbaril; Panam; Pomex; Poudre insecticide moureau; Poudre insecticide vetoquinol; Poutic; Prosevor 85; Ravyon; Rylam; Sanofi brand of carbaril; Savit; Seffein; Septene; Sevimol; Sevin; Sevin (carbaryl); Sevin 4; Sevin brand SL; Sewin; Skatta tick flea louse powder; Sogeval brand of carbaril; SOK; Suleo; Tercyl; Thinsec; Tigal; Tolyspaz; Tomado; Tornado; Toxan; Tricarnam; Union Carbide 7,744; Vetoquinol, poudre insecticide; Vetox; Vioxan; Virbac brand of carbaril; VO 18, Concentrat; Wasp destroyer

> <TYPES>
Organic Compound; Pesticide; Amine; Ester; Carbamate; Pollutant; Household Toxin; Synthetic Compound

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